General Information of the Compound
Compound ID
CP0453249
Compound Name
4-methyl-N-(naphthalen-1-yl)thiazol-2-amine
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Synonyms
(4-methyl(1,3-thiazol-2-yl))naphthylamine
4-methyl-N-(naphthalen-1-yl)thiazol-2-amine
AC1LEV1N
AKOS002285219
BDBM50183094
CCG-716
CHEMBL383736
HMS558M22
MCULE-5807523116
Maybridge1_006094
MolPort-000-432-043
SCHEMBL14433296
ST50046832
ZINC5730833
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Structure
Formula
C14H12N2S
Molecular Weight
240.331
Canonical SMILES
Cc1csc(Nc2cccc3ccccc23)n1
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InChI
InChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16)
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InChIKey
QNKLFDFMOINNIW-UHFFFAOYSA-N
Physicochemical Property
logP
4.34832
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
24.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 692856
SID: 14917067
ChEMBL ID
CHEMBL383736
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01508, C-C chemokine receptor type 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000108 CCRF-CEM
 Cell Line Info 
Homo sapiens (Human)  3
1
IC50 = 1700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 3000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
IC50 = 6400 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-methyl-N-(naphthalen-1-yl)thiazol-2-amine )
Drug Name 4-methyl-N-(naphthalen-1-yl)thiazol-2-amine
Target(s)
C-C chemokine receptor type 4 (CCR4)
 Target Info 
Inhibitor